[2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-oxo-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-[[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-keto-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl] ester Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)COC(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O5/c1-18-7-9-19(10-8-18)22-16-25(30(29-22)21-5-3-2-4-6-21)28-26(31)17-35-27(32)20-11-12-23-24(15-20)34-14-13-33-23/h2-12,15-16H,13-14,17H2,1H3,(H,28,31)